N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C15H19N5O2S — CID 95848717

IUPACN-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2cncs2)CC1
InChIInChI=1S/C15H19N5O2S/c1-15(12-10(7-18-19-12)13(21)16-2)3-5-20(6-4-15)14(22)11-8-17-9-23-11/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyPXZUTXBUJWKLLE-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848717) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848717
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2cncs2)CC1
InChIInChI=1S/C15H19N5O2S/c1-15(12-10(7-18-19-12)13(21)16-2)3-5-20(6-4-15)14(22)11-8-17-9-23-11/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyPXZUTXBUJWKLLE-UHFFFAOYSA-N
XLogP1.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 95848717) is N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2cncs2)CC1.
What is the InChIKey of N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is PXZUTXBUJWKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-15(12-10(7-18-19-12)13(21)16-2)3-5-20(6-4-15)14(22)11-8-17-9-23-11/h7-9H,3-6H2,1-2H3,(H,16,21)(H,18,19).
What are the key properties of N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).